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Bernardi, Fernando, Bottoni, Andreà, Fossey, Jacques, Sorba, Janine (1989) Fragment interaction analysis in the framework of ab-initio UHF-MO computations. Journal of Molecular Structure: THEOCHEM, 183. 301-309 doi:10.1016/0166-1280(89)80011-9

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Reference TypeJournal (article/letter/editorial)
TitleFragment interaction analysis in the framework of ab-initio UHF-MO computations
JournalJournal of Molecular Structure: THEOCHEM
AuthorsBernardi, FernandoAuthor
Bottoni, AndreàAuthor
Fossey, JacquesAuthor
Sorba, JanineAuthor
Year1989 (January)Volume183
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(89)80011-9Search in ResearchGate
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Mindat Ref. ID8779173Long-form Identifiermindat:1:5:8779173:6
GUID0
Full ReferenceBernardi, Fernando, Bottoni, Andreà, Fossey, Jacques, Sorba, Janine (1989) Fragment interaction analysis in the framework of ab-initio UHF-MO computations. Journal of Molecular Structure: THEOCHEM, 183. 301-309 doi:10.1016/0166-1280(89)80011-9
Plain TextBernardi, Fernando, Bottoni, Andreà, Fossey, Jacques, Sorba, Janine (1989) Fragment interaction analysis in the framework of ab-initio UHF-MO computations. Journal of Molecular Structure: THEOCHEM, 183. 301-309 doi:10.1016/0166-1280(89)80011-9
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 183. Elsevier BV

See Also

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Bernardi, F., Bottoni, A., Fossey, J., Sorba, J. (1985) Fragment interaction analysis in the framework of ab initio UHF MO computations. Journal of Molecular Structure: THEOCHEM, 119. 231-239 doi:10.1016/0166-1280(85)87001-9
BERNARDI, F., BOTTONI, A., FOSSEY, J., SORBA, J. (1985) ChemInform Abstract: FRAGMENT INTERACTION ANALYSIS IN THE FRAMEWORK OF AB INITIO UHF MO COMPUTATIONS. PART II. CONFORMATIONAL PREFERENCES IN SUBSTITUTED ETHYL RADICALS. Chemischer Informationsdienst, 16 (14) doi:10.1002/chin.198514075
Fossey, Jacques, Sorba, Janine (1989) Ho and hs substituent effect on alkyl radicals: an ab-initio molecular orbital study. Journal of Molecular Structure: THEOCHEM, 186. 305-319 doi:10.1016/0166-1280(89)87053-8
BERNARDI, F., BOTTONI, A., FOSSEY, J. (1982) ChemInform Abstract: FRAGMENT INTERACTION ANALYSIS IN THE FRAMEWORK OF AB INITIO UHF MO COMPUTATIONS. I. CONFORMATIONAL PREFERENCE IN THE ETHYL RADICAL. Chemischer Informationsdienst, 13 (41) doi:10.1002/chin.198241069
Bernardi, Fernando, Bottoni, Andrea, Mangini, Angelo, Tonachini, Glauco (1981) Quantitative orbital analysis of ab initio SCFMO computations. Journal of Molecular Structure: THEOCHEM, 86. 163-172 doi:10.1016/0166-1280(81)85082-8
Bernardi, Fernando, Fossey, Jacques (1988) An ab initio study of the structural properties of β-substituted ethyl-free radicals. Journal of Molecular Structure: THEOCHEM, 180. 79-93 doi:10.1016/0166-1280(88)80080-0
Bernardi, Fernando, Bottoni, Andrea, Venturini, Alessandro (1988) An ab initio SCF-MO study of the aromaticity of some cyclic compounds. Journal of Molecular Structure: THEOCHEM, 163. 173-189 doi:10.1016/0166-1280(88)80389-0
Bernardi, Fernando, Bottoni, Andrea, Tonachini, Glauco (1981) A comparative analysis of various gradient methods for geometry optimization at the ab initio SCF-MO level. Journal of Molecular Structure: THEOCHEM, 86. 123-129 doi:10.1016/0166-1280(81)85078-6
Hodošček, M., Hadži, D., Šolmajer, T. (1989) Ab initio MO calculations of hydrogen bonding between guanidine isosters and carboxylate. Journal of Molecular Structure: THEOCHEM, 183. 371-379 doi:10.1016/0166-1280(89)80017-x
Largo-Cabrerizo, A., Barrientos, C. (1989) An ab initio study of the RBS+ cations (RH, F, Cl). Journal of Molecular Structure: THEOCHEM, 183. 183-189 doi:10.1016/0166-1280(89)80034-x
Kutzelnigg, Werner (1989) Ab initio calculation of molecular properties. Journal of Molecular Structure: THEOCHEM, 202. 11-61 doi:10.1016/0166-1280(89)87003-4
 
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